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1-Phenyldodecane-2,11-dione

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

1-Phenyldodecane-2,11-dione
SpectraBase Compound ID J1ibxWygjOC
InChI InChI=1S/C18H26O2/c1-16(19)11-7-4-2-3-5-10-14-18(20)15-17-12-8-6-9-13-17/h6,8-9,12-13H,2-5,7,10-11,14-15H2,1H3
InChIKey KRTSRIKUPOEQQB-UHFFFAOYSA-N
Mol Weight 274.4 g/mol
Molecular Formula C18H26O2
Exact Mass 274.19328 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KeotgNSZl6m
Name 1-Phenyldodecane-2,11-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 274.193280075 u
Formula C18H26O2
InChI InChI=1S/C18H26O2/c1-16(19)11-7-4-2-3-5-10-14-18(20)15-17-12-8-6-9-13-17/h6,8-9,12-13H,2-5,7,10-11,14-15H2,1H3
InChIKey KRTSRIKUPOEQQB-UHFFFAOYSA-N
Molecular Weight 274.404 g/mol
SMILES C(=O)(CC=1C=CC=CC1)CCCCCCCCC(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.968562